UNIO Software Software Suite for NMR structure determination and more ...

Welcome to UNIO

UNIO Overview

The UNIO multi-purpose software suite enables you to conduct unsupervised NMR data analysis for biomolecular 3D structure determination and more..

First released in 2008, UNIO is the ultimate result of more than 15 years of meticulous research performed in order to guarantee accurate, objective and highly automated protein structure determination by NMR.

In 2012 and 2015, UNIO has successively been top-ranked in the NMR community-wide stringent blind target software competition for Critical Assessment of automated Structure Determination by NMR (CASD 1 & 2).

The available UNIO data analysis algorithms and protocols for NMR experiment-driven molecular modelling have been used in thousands of NMR structure determination projects as witnessed by PDB entries.

Academic and industrial licenses have been distributed to more than 1000 research laboratories and structural biology facilities world-wide.

UNIO Software

The UNIO suite includes data analysis routines for all parts of an NMR structure determination process: UNIO assembles the MATCH algorithm for sequence-specific backbone resonance assignment, the ASCAN algorithm for side-chain assignment, the CANDID algorithm for NOE assignment, and the ATNOS algorithm for NMR signal identification. These sophisticated NMR data analysis modules are forming the core of the UNIO software and are controlled by a user-friendly and highly flexible graphical user interface.

UNIO comes with a rich suite of auxiliary modules that are seamlessly integrated into the afore-mentioned principal UNIO analysis components, such as
  • automated chemical shift referencing
  • automated secondary structure prediction
  • automated hydrogen bond identification
  • automated stereo-specific assignment
  • automated order parameter S2 and MD-RMSF identification
  • automated identification for optimal RMSD superposition
  • validation tools for NMR structures
  • molecular visualisation
  • NMR restraint inspection
  • and more
The UNIO manual provides comprehensive documentation with more than 120 pages and over 90 figures.

J-UNIO protocol

Fully automated NMR structure determination is also provided by UNIO: The standard UNIO data analysis protocol (J-UNIO protocol) requires only a minimal set of six NMR spectra, namely 3 APSY and 3 NOESY, and features high computational efficiency (< 2h for 10-20kDa biomolecules). Triple-resonance NMR experiments can alternatively be used instead of APSY data for obtaining the backbone resonance assignments.

Powerful interactive graphic and text tools facilitate and enhance expert intervention at the structure refinement stage in form of validation, correction and completion of intermediate and final results.

Contact Information

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Address
Torsten Herrmann
Research Director CNRS
Institut de Biologie Structurale (IBS)
UMR 5074 CNRS, CEA, UGA
71 avenue des Martyrs, CS 10090
38044 Grenoble cedex 9, France

Contact me for Software request.
Publication list.
Research activities.

UNIO Manual

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The UNIO manual provides comprehensive documentation with more than 120 pages and over 90 figures.

Download the UNIO manual.

UNIO References

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